SCHEMBL16082385

SCHEMBL16082385

CCOc1ccc2c(c1)CCC(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PLCG2 P16885 1/20 0.44
COXFA4 O00483 1/20 0.44
DAGLA Q9Y4D2 2/20 0.43
ABHD6 Q9BV23 1/20 0.43
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
SCN5A Q14524 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
GHSR Q92847 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16119815 0.88 PPARA (0.52) SCN9APPARAPPARGPPARD
SCHEMBL31260271 0.88 PPARA (0.52) SCN9APPARAPPARGPPARD
SCHEMBL17430831 0.84 HRH3 (0.49) SCN9AMAPTNPC1RAB9APLCG2
SCHEMBL21950002 0.83 MAPT (0.55) MAPTNPC1RAB9APLCG2COXFA4
SCHEMBL27498274 0.82 MAOB (0.56) SCN9ADAGLAABHD6HRH3PPARA
SCHEMBL4017321 0.81 MAPT (0.46) SCN9AMAPTNPC1RAB9APLCG2
SCHEMBL7972444 0.80 MAPT (0.45) SCN9AMAPTNPC1RAB9APLCG2
SCHEMBL13084611 0.79 AKT1 (0.48) HRH3PPARAPPARGPPARDMEN1
SCHEMBL7931244 0.78 MAPT (0.43) SCN9AMAPTNPC1RAB9APLCG2
SCHEMBL18231222 0.77 PTPN1 (0.52) SCN9APPARAPPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 SCN9A 1460/4885MAPT 4773/4885NPC1 2361/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 SCN9A 1798/4885MAPT 4746/4885NPC1 3379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.